![CAS 591215-20-2 Pyridine, 4,4′-[4′,5′-bis[4-(4-pyridinyl)phenyl][1,1′:2′,1”-terphenyl]-4,4”-diyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/591215-20-2.gif)
CAS RN: 591215-20-2
Pyridine, 4,4′-[4′,5′-bis[4-(4-pyridinyl)phenyl][1,1′:2′,1”-terphenyl]-4,4”-diyl]bis-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS591215-20-2
- Purity/Analytical Methods: >99.0%
591215-20-2 / 4-[4-[2,4,5-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
Basic Information
CAS
591215-20-2
Multi CAS
No
Molecular Formula
C50H34N4
Molecular Weight
690.800000
Exact Mass
690.278347
InChI
InChI=1S/C50H34N4/c1-9-43(10-2-35(1)39-17-25-51-26-18-39)47-33-49(45-13-5-37(6-14-45)41-21-29-53-30-22-41)50(46-15-7-38(8-16-46)42-23-31-54-32-24-42)34-48(47)44-11-3-36(4-12-44)40-19-27-52-28-20-40/h1-34H
InChIKey
SUPTZFQRIMPHSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
54
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
221.11
TPSA
51.56
LogP / Solubility
WLOGP
12.6
MLOGP
11.15
XLogP3
10.7
Consensus LogP
11.48
Log S (ESOL)
-12.27
Class (ESOL)
Insoluble
Log S (Ali)
-14.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.01
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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